N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide

C21H33N3O2 — CID 72937332

IUPACN-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(CCO)CC1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H33N3O2/c25-15-14-23-11-8-18(9-12-23)6-7-21(26)22-20-10-13-24(17-20)16-19-4-2-1-3-5-19/h1-5,18,20,25H,6-17H2,(H,22,26)
InChIKeyIRNIXKJAFGTQKU-UHFFFAOYSA-N
MW359.51 g/mol
LogP1.86
Rot. Bonds8

About N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide

N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide (PubChem CID 72937332) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide
PubChem CID72937332
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(CCO)CC1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H33N3O2/c25-15-14-23-11-8-18(9-12-23)6-7-21(26)22-20-10-13-24(17-20)16-19-4-2-1-3-5-19/h1-5,18,20,25H,6-17H2,(H,22,26)
InChIKeyIRNIXKJAFGTQKU-UHFFFAOYSA-N
XLogP1.86
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 72852322
N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 97270800
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
CID 42377516
N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide
CID 45216855
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 26320267
2-(azetidin-3-yl)-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 64618361
N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide
CID 42197580
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide (CID 72937332) is N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide is O=C(CCC1CCN(CCO)CC1)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide?
The InChIKey is IRNIXKJAFGTQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c25-15-14-23-11-8-18(9-12-23)6-7-21(26)22-20-10-13-24(17-20)16-19-4-2-1-3-5-19/h1-5,18,20,25H,6-17H2,(H,22,26).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide?
N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide has a molecular weight of 359.51 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 72937332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).